4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine

C9H18ClNO3S2 — CID 66382227

IUPAC4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)C1CSCCN1CCOCCCl
InChIInChI=1S/C9H18ClNO3S2/c1-16(12,13)9-8-15-7-4-11(9)3-6-14-5-2-10/h9H,2-8H2,1H3
InChIKeyFKYXYQKXFSITRK-UHFFFAOYSA-N
MW287.83 g/mol
LogP0.66
Rot. Bonds6

About 4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine

4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine (PubChem CID 66382227) has the molecular formula C9H18ClNO3S2 and a molecular weight of 287.83 g/mol. Its IUPAC name is 4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine
PubChem CID66382227
Molecular FormulaC9H18ClNO3S2
Molecular Weight287.83 g/mol
Exact Mass287.04
IUPAC Name4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine
SMILESCS(=O)(=O)C1CSCCN1CCOCCCl
InChIInChI=1S/C9H18ClNO3S2/c1-16(12,13)9-8-15-7-4-11(9)3-6-14-5-2-10/h9H,2-8H2,1H3
InChIKeyFKYXYQKXFSITRK-UHFFFAOYSA-N
XLogP0.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromopropyl)-3-methylsulfonylthiomorpholine
CID 66383009
4-[2-(3-methylsulfonylthiomorpholin-4-yl)ethoxy]aniline
CID 66382167
4-(2-chloroethyl)-3-ethylsulfonylthiomorpholine
CID 66378487
3-chloro-1-(3-methylsulfonylthiomorpholin-4-yl)propan-1-one
CID 66384162
4-(4-chlorobutyl)-3-ethylsulfonylthiomorpholine
CID 66378289
4-chloro-1-(3-methylsulfonylthiomorpholin-4-yl)butan-1-one
CID 66383779
N-tert-butyl-4-(3-methylsulfonylthiomorpholin-4-yl)butan-1-amine
CID 66384183
4-methyl-N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]pentan-1-amine
CID 66382459
N-[2-(3-methylsulfonylthiomorpholin-4-yl)ethyl]hexan-1-amine
CID 66383426
4-[(4-iodophenyl)methyl]-3-methylsulfonylthiomorpholine
CID 66383011
1-butoxy-3-(3-methylsulfonylthiomorpholin-4-yl)propan-2-ol
CID 107263917
3-methyl-1-(3-methylsulfonylthiomorpholin-4-yl)butan-2-amine
CID 66381906

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine?
The IUPAC name of 4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine (CID 66382227) is 4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine.
What is the SMILES notation for 4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine?
The canonical SMILES for 4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine is CS(=O)(=O)C1CSCCN1CCOCCCl.
What is the InChIKey of 4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine?
The InChIKey is FKYXYQKXFSITRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S2/c1-16(12,13)9-8-15-7-4-11(9)3-6-14-5-2-10/h9H,2-8H2,1H3.
What are the key properties of 4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine?
4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine has a molecular weight of 287.83 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloroethoxy)ethyl]-3-methylsulfonylthiomorpholine is sourced from PubChem (CID 66382227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).